CID 146598741

Tert-butyl n-[3-(2-aminoethoxy)propyl]-n-methylcarbamate

Structural Information

Molecular Formula
C11H24N2O3
SMILES
CC(C)(C)OC(=O)N(C)CCCOCCN
InChI
InChI=1S/C11H24N2O3/c1-11(2,3)16-10(14)13(4)7-5-8-15-9-6-12/h5-9,12H2,1-4H3
InChIKey
HJNQSXHWAYUCTI-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(2-aminoethoxy)propyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

232.1787 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18598 158.0
[M+Na]+ 255.16792 162.2
[M-H]- 231.17142 158.7
[M+NH4]+ 250.21252 176.0
[M+K]+ 271.14186 163.5
[M+H-H2O]+ 215.17596 151.9
[M+HCOO]- 277.17690 180.5
[M+CH3COO]- 291.19255 199.1
[M+Na-2H]- 253.15337 160.6
[M]+ 232.17815 162.0
[M]- 232.17925 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe